TL;DR: 3-(4-chlorophenyl)-2-(3-(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid (CAS 1214678-33-7) is a chemical compound with molecular formula C27H26ClNO6 and molecular weight 495.14487 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-chlorophenyl)-2-[3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid
Also Known As: 3-(4-chlorophenyl)-2-(3-(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid, 3-(4-chlorophenyl)-2-[3-(2,3,5,9-tetramethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propanoic acid, 4-chloro-N-[3-(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]phenylalanine
| Molecular Formula | C27H26ClNO6 |
| Molecular Weight | 495.14487 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.14487 Da |
| Heavy Atoms | 35 |
| Complexity | 866.0 |
| SMILES | CC1=C(OC2=C(C3=C(C=C12)C(=C(C(=O)O3)CCC(=O)NC(CC4=CC=C(C=C4)Cl)C(=O)O)C)C)C |
| InChIKey | ZCLULMKLHSYXEH-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that 3-(4-chlorophenyl)-2-(3-(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-chlorophenyl)-2-(3-(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-2-(3-(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(4-chlorophenyl)-2-(3-(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid is 1214678-33-7.
The molecular formula of 3-(4-chlorophenyl)-2-(3-(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid is C27H26ClNO6.
The molecular weight of 3-(4-chlorophenyl)-2-(3-(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)propanoic acid is 495.14487 g/mol.
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